rhodinyl isovalerate
3,7-dimethyl-6 or 7-octen-1-yl isovalerate

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  7778-96-3 Rhodinyl Isovalerate

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Flavor Demo Formulas Name: 3,7-dimethyloct-7-enyl 3-methylbutanoate CAS Number: 7778-96-3 3D/inchi ECHA EINECS - REACH Pre-Reg: 231-919-7 FDA UNII: RY3FD3JOGA CoE Number: 460 XlogP3-AA: 5.30 (est) Molecular Weight: 240.38656000 Formula: C15 H28 O2 NMR Predictor: Predict (works with chrome, Edge or firefox) EFSA/JECFA Comments: CASrn in Register refers to 3S-enantiomer. Category:flavor and fragrance agents   US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information: Google Scholar: Search Google Books: Search Google Scholar: with word "volatile" Search Google Scholar: with word "flavor" Search Google Scholar: with word "odor" Search Perfumer and Flavorist: Search Google Patents: Search US Patents: Search EU Patents: Search Pubchem Patents: Search PubMed: Search NCBI: Search JECFA Food Flavoring: 77 rhodinyl isovalerate DG SANTE Food Flavourings: 09.465 rhodinyl isovalerate FEMA Number: 2987 rhodinyl isovalerate FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 7778-96-3 ; RHODINYL ISOVALERATE FDA Regulation: FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants.   Physical Properties: Appearance: colorless clear oily liquid (est) Assay: 94.00 to 100.00 Equivalence Factor for Assay: 120.20 Food Chemicals Codex Listed: No Boiling Point: 270.00 °C. @ 760.00 mm Hg Boiling Point: 147.00 °C. @ 14.00 mm Hg Vapor Pressure: 0.000828 mmHg @ 25.00 °C. (est) Flash Point: 194.00 °F. TCC ( 90.00 °C. ) logP (o/w): 5.696 (est) Soluble in:   alcohol   water, very slightly   water, 0.186 mg/L @ 25 °C (est) Insoluble in:   water Similar Items:note allyl valerate allyl isovalerate amyl valerate amyl isovalerate isoamyl valerate isoamyl isovalerate para-anisyl isovalerate para-anisyl valerate benzyl valerate benzyl isovalerate bornyl valerate bornyl isovalerate (-)-bornyl isovalerate isobornyl isovalerate S-sec-butyl thioisovalerate butyl valerate butyl isovalerate isobutyl valerate isobutyl isovalerate carvyl isovalerate cinnamyl valerate cinnamyl isovalerate citronellyl valerate citronellyl isovalerate para-cresyl valerate para-cresyl isovalerate cyclohexyl valerate cyclohexyl isovalerate cyclotene isovalerate decyl valerate decyl isovalerate ethyl valerate ethyl isovalerate eugenyl isovalerate furfuryl isovalerate furfuryl valerate geranyl valerate geranyl isovalerate (E)-2-hepten-1-yl isovalerate heptyl isovalerate sec-heptyl isovalerate heptyl valerate (E)-2-hexen-1-yl valerate (E)-2-hexen-1-yl isovalerate (Z)-3-hexen-1-yl valerate (Z)-3-hexen-1-yl isovalerate hexyl valerate hexyl isovalerate linalyl valerate linalyl isovalerate menthyl valerate menthyl isovalerate methyl 2-methyl valerate methyl 4-methyl valerate 2-methyl butyl isovalerate 4-methyl pentyl isovalerate methyl thio isovalerate methyl valerate methyl isovalerate myrtenyl isovalerate neryl isovalerate nonyl isovalerate nonyl valerate octyl valerate octyl isovalerate phenethyl isovalerate 2-phenethyl valerate 3-phenyl propyl isovalerate phenyl propyl valerate S-prenyl thioisovalerate isopropyl thioisovalerate propyl valerate propyl isovalerate isopropyl valerate isopropyl isovalerate terpinyl isovalerate terpinyl valerate   Organoleptic Properties: Odor Type: floral floral rose red rose Odor Description:at 100.00 %. sensual red rose Flavor Type: fruity cherry Taste Description: cherry Odor and/or flavor descriptions from others (if found).   Cosmetic Information: CosIng: cosmetic data Cosmetic Uses: perfuming agents   Suppliers: BOC Sciences For experimental / research use only. Rhodinyl Isovalerate Chemical Sources Association Need This Item for Flavor/Food?: You can contact the Chemical Sources Association   Safety Information: European information : Most important hazard(s): Xi - Irritant R 38 - Irritating to skin. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 36 - Wear suitable protective clothing.   Hazards identification   Classification of the substance or mixture GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) None found. GHS Label elements, including precautionary statements   Pictogram   Hazard statement(s) None found. Precautionary statement(s) None found. Oral/Parenteral Toxicity: Not determined Dermal Toxicity: Not determined Inhalation Toxicity: Not determined   Safety in Use Information: Category: flavor and fragrance agents RIFM Fragrance Material Safety Assessment: Search IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice Recommendation for rhodinyl isovalerate usage levels up to:   5.0000 % in the fragrance concentrate.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day) Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library publication number: 3 Click here to view publication 3   average usual ppm average maximum ppm baked goods: - 7.20000 beverages(nonalcoholic): - 2.00000 beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: - 2.30000 fruit ices: - 2.30000 gelatins / puddings: - - granulated sugar: - - gravies: - - hard candy: - 7.20000 imitation dairy: - - instant coffee / tea: - - jams / jellies: - - meat products: - - milk products: - - nut products: - - other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: - - snack foods: - - soft candy: - - soups: - - sugar substitutes: - - sweet sauces: - -   Safety References: European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... European Food Safety Authority (EFSA) reference(s): Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 6 (FGE.06): Straight-and branched-chain aliphatic unsatured primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4 View page or View pdf Flavouring Group Evaluation 6, Revision 1 (FGE.06Rev1) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):7778-96-3 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :16204529 National Institute of Allergy and Infectious Diseases:Data WGK Germany:2 3,7-dimethyloct-7-enyl 3-methylbutanoate Chemidplus:0007778963   References:   3,7-dimethyloct-7-enyl 3-methylbutanoate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 7778-96-3 Pubchem (cid): 16204529 Pubchem (sid): 135360182   Other Information: (IUPAC): Atomic Weights of the Elements 2011 (pdf) Videos: The Periodic Table of Videos tgsc: Atomic Weights use for this web site (IUPAC): Periodic Table of the Elements FDA Substances Added to Food (formerly EAFUS): View HMDB (The Human Metabolome Database): HMDB37190 FooDB: FDB016192 Export Tariff Code: 2915.60.0000 ChemSpider: View   Potential Blenders and core components note For Odor aldehydic 6,7,8- decen-1-ol FR nonanal diethyl acetal FL/FR alliaceous dibutyl sulfide FL/FR anisic para- acetanisole FL/FR ethyl para-anisate FL/FR balsamic benzophenone FR iso butyl benzoate FL/FR chocolate iso amyl phenyl acetate FL/FR citrus abronia fragrance FR citronitrile (Symrise) FR ethereal ethyl acetate FL/FR fatty methyl 10-undecenoate FL/FR floral acetophenone FL/FR iso amyl undecylenate FL/FR benzyl alcohol FL/FR benzyl formate FL/FR benzyl isobutyrate FL/FR butyl benzyl ether FL/FR cassis buteneone FR citronellal FL/FR citronellal diisotridecyl acetal FR laevo- citronellol FL/FR citronellyl acetate FL/FR (S)- citronellyl acetate FL/FR citronellyl anthranilate FL/FR citronellyl hexanoate FL/FR citronellyl propionate FL/FR (E)- citronellyl tiglate FL/FR cyclohexyl propanol FR beta- damascenone FL/FR (Z)-alpha- damascone FL/FR gamma- damascone FR delta- damascone FL/FR (Z)-4- decen-1-yl acetate FL/FR dihydrocarvyl acetate FL/FR dihydrorose oxide FR dimethyl benzyl carbinyl acetate FL/FR ethyl linalyl acetate FR ethyl ortho-anisate FL/FR ethyl phenoxyacetate FR farnesyl acetate FL/FR floral pyran FR geraniol FL/FR geranium dihydropyran FR geranium nitrile FR geranium oil africa FL/FR geranium oil egypt FL/FR geranium oil egypt fractions FR geranium oil terpeneless FL/FR geranium petiole oil india FL/FR geranium pyran FR geranium rose oil FL/FR geranium rose-scented oil cuba FR geranyl acetate FL/FR geranyl formate FL/FR geranyl hexanoate FL/FR geranyl isobutyrate FL/FR (E)- geranyl linalool FL/FR geranyl nonanoate CS geranyl propionate FL/FR geranyl tiglate FL/FR geranyl valerate FL/FR glycoacetal FR hawthorn ethanol FR heliotropin FL/FR para- methyl acetophenone FL/FR methyl citronellate FL/FR methyl ionyl acetate FL/FR 2- methyl octanal FL/FR musk acetate FR beta- naphthyl anthranilate FL/FR narcissus acetate FL/FR neryl acetate FL/FR neryl isovalerate FL/FR nonanol FL/FR octyl isovalerate FL/FR peony acetonitrile FR peony alcohol FR phenethyl acetate FL/FR phenethyl alcohol FL/FR phenethyl anthranilate FL/FR phenethyl formate FL/FR phenethyl heptanoate FL/FR phenethyl isobutyrate FL/FR phenethyl isovalerate FL/FR phenethyl lactate FL/FR phenethyl phenyl acetate FL/FR phenethyl pivalate FL/FR phenethyl propionate FL/FR phenethyl salicylate FL/FR 2- phenethyl valerate FL/FR phenyl acetaldehyde digeranyl acetal FR phenyl propyl phenyl acetate FR primrose fragrance FR rhodinol FL/FR rhodinol substitues FL/FR rhodinyl acetate FL/FR rhodinyl acetate substitutes FL/FR rhodinyl butyrate FL/FR rhodinyl formate FL/FR rhodinyl isobutyrate FL/FR rhodinyl phenyl acetate FL/FR rhodinyl propionate FL/FR rosa alba flower oil CO2 extract FR rose absolute (rosa centifolia) FL/FR rose absolute (rosa centifolia) morocco FL/FR rose absolute (rosa damascena) bulgaria FL/FR rose absolute (rosa damascena) turkey FL/FR rose absolute pentanol FR rose acetate FR rose blossom pentanol FR rose butanoate FL/FR rose carbonate FR rose concrete (rosa centifolia) FR rose concrete (rosa damascena) FR rose oil (rosa centifolia) egypt FL/FR rose oil (rosa damascena) bulgaria FL/FR rose oil (rosa damascena) iran FL/FR rose oil (rosa damascena) turkey FL/FR rose oil replacer FR (Z)- rose oxide FL/FR laevo- rose oxide FL/FR rose pyran FR styralyl propionate FL/FR 2- undecen-1-ol FL/FR (E)-2- undecen-1-ol FL/FR fruity bitter almond oil FL/FR iso amyl 2-methyl butyrate FL/FR benzaldehyde FL/FR benzaldehyde glycrol acetal FL/FR bread thiophene FL/FR cherry essence FL/FR sour cherry essence FL/FR black cherry infusions FL/FR cherry oxyacetate FL/FR cherry propanol FL/FR citronellyl isobutyrate FL/FR (E)-alpha- damascone FL/FR ethyl 2-methyl butyrate FL/FR ethyl benzoyl acetate FL/FR ethyl methyl-para-tolyl glycidate FL/FR ethyl para-methyl-beta-phenyl glycidate FR (E)- ethyl tiglate FL/FR geranyl butyrate FL/FR 3- methyl-2-butenal FL/FR octyl formate FL/FR plum crotonate FR prunus amygdalus amara seed extract FL/FR strawberry glycidate 2 FL/FR green benzaldehyde dimethyl acetal FL/FR iso decanal FL/FR diphenyl methane FL/FR diphenyl oxide FL/FR geranium thiazole FL/FR 2- heptyl tetrahydrofuran FR (Z)-3- hexen-1-yl phenyl acetate FL/FR (Z)-3- hexen-1-yl pyruvate FL/FR hexyl phenyl acetate FL/FR lilac acetaldehyde FL/FR [(4E,4Z)-5- methoxy-3-methyl-4-penten-1-yl] benzene FR phenyl acetaldehyde FL/FR phenyl acetaldehyde dimethyl acetal FL/FR herbal chamomile valerate FR geranium cyclohexane FR geranyl octanoate FL/FR linalyl formate FL/FR laevo- menthyl propionate FL/FR rose oil (rosa centifolia) morocco FL/FR honey phenyl acetic acid FL/FR leathery leather cyclohexanol FR naphthyl 2,4- dimethyl benzaldehyde FL/FR phenolic 2'- hydroxyacetophenone FL/FR methyl benzoate FL/FR powdery para- anisyl acetate FL/FR para- anisyl alcohol FL/FR spicy (E)- cinnamyl isovalerate FL/FR cinnamyl propionate FL/FR maja fragrance FR para- methoxycinnamaldehyde FL/FR pepper hexanone FR waxy dihydrocitronellyl acetate FL/FR ethyl nonanoate FL/FR winey butyl angelate FL/FR woody (E)- ethyl geranate FR santalyl butyrate FL/FR For Flavor No flavor group found for these iso amyl undecylenate FL/FR butyl angelate FL/FR butyl benzyl ether FL/FR (Z)-alpha- damascone FL/FR iso decanal FL/FR (Z)-4- decen-1-yl acetate FL/FR dihydrocitronellyl acetate FL/FR ethyl ortho-anisate FL/FR (E)- geranyl linalool FL/FR geranyl octanoate FL/FR geranyl valerate FL/FR 3- heptyl acetate FL laevo- menthyl propionate FL/FR 2- methyl octanal FL/FR nonanal diethyl acetal FL/FR octyl isovalerate FL/FR phenethyl heptanoate FL/FR phenethyl lactate FL/FR 2- phenethyl valerate FL/FR rhodinyl acetate substitutes FL/FR santalyl butyrate FL/FR 2- undecen-1-ol FL/FR (E)-2- undecen-1-ol FL/FR anise anise ethyl para-anisate FL/FR anisic para- acetanisole FL/FR balsamic phenethyl pivalate FL/FR berry rhodinol substitues FL/FR cherry heliotropin FL/FR para- methoxycinnamaldehyde FL/FR thenaldehyde FL chocolate cherry chocolate fudge flavor FL citrus cherry lemon lime flavor FL styralyl propionate FL/FR creamy para- methyl acetophenone FL/FR ethereal ethyl acetate FL/FR floral iso amyl phenyl acetate FL/FR cinnamyl propionate FL/FR citronellal FL/FR laevo- citronellol FL/FR citronellyl acetate FL/FR (S)- citronellyl acetate FL/FR citronellyl hexanoate FL/FR citronellyl propionate FL/FR dihydrocarvyl acetate FL/FR dimethyl benzyl carbinyl acetate FL/FR farnesyl acetate FL/FR geraniol FL/FR geranium oil africa FL/FR geranium oil egypt FL/FR geranium oil terpeneless FL/FR geranium petiole oil india FL/FR geranium rose oil FL/FR geranyl isobutyrate FL/FR geranyl tiglate FL/FR methyl citronellate FL/FR neryl acetate FL/FR phenethyl alcohol FL/FR phenethyl anthranilate FL/FR phenethyl propionate FL/FR phenyl acetic acid FL/FR rhodinol FL/FR rhodinyl acetate FL/FR rhodinyl butyrate FL/FR rhodinyl isobutyrate FL/FR rose absolute (rosa centifolia) FL/FR rose absolute (rosa centifolia) morocco FL/FR rose absolute (rosa damascena) bulgaria FL/FR rose absolute (rosa damascena) turkey FL/FR rose oil (rosa centifolia) egypt FL/FR rose oil (rosa damascena) bulgaria FL/FR rose oil (rosa damascena) iran FL/FR rose oil (rosa damascena) turkey FL/FR laevo- rose oxide FL/FR fruity acerola fruit distillates FL bitter almond oil FL/FR iso amyl 2-methyl butyrate FL/FR para- anisyl acetate FL/FR para- anisyl alcohol FL/FR benzaldehyde FL/FR benzaldehyde glycrol acetal FL/FR benzyl alcohol FL/FR benzyl formate FL/FR benzyl isobutyrate FL/FR bread thiophene FL/FR iso butyl benzoate FL/FR cherry distillates FL sour cherry essence FL/FR cherry essence FL/FR red cherry flavor FL sour cherry flavor FL wild cherry flavor FL fresh cherry flavor FL cherry flavor FL bing cherry flavor FL black cherry flavor FL burgundy cherry flavor FL maraschino cherry flavor FL wild red cherry flavor FL blue cherry flavor FL dark cherry flavor FL black cherry infusions FL/FR sour cherry juice concentrate FL black cherry juice concentrate FL cherry juice concentrate FL cherry oxyacetate FL/FR cherry pit flavor FL cherry propanol FL/FR (E)- cinnamyl isovalerate FL/FR citronellyl anthranilate FL/FR citronellyl isobutyrate FL/FR (E)-alpha- damascone FL/FR ethyl 2-methyl butyrate FL/FR ethyl benzoyl acetate FL/FR ethyl methyl-para-tolyl glycidate FL/FR (E)- ethyl tiglate FL/FR geranyl butyrate FL/FR geranyl hexanoate FL/FR hexyl phenyl acetate FL/FR lilac acetaldehyde FL/FR malpighia punicifolia fruit extract FL 3- methyl-2-butenal FL/FR beta- naphthyl anthranilate FL/FR neryl isovalerate FL/FR phenethyl isovalerate FL/FR rhodinyl formate FL/FR rhodinyl propionate FL/FR rose butanoate FL/FR strawberry glycidate 2 FL/FR green benzaldehyde dimethyl acetal FL/FR (E)- citronellyl tiglate FL/FR dibutyl sulfide FL/FR diphenyl methane FL/FR diphenyl oxide FL/FR geranium thiazole FL/FR geranyl acetate FL/FR geranyl formate FL/FR (Z)-3- hexen-1-yl phenyl acetate FL/FR (Z)-3- hexen-1-yl pyruvate FL/FR narcissus acetate FL/FR octyl formate FL/FR phenethyl formate FL/FR phenyl acetaldehyde dimethyl acetal FL/FR (Z)- rose oxide FL/FR herbal linalyl formate FL/FR rose oil (rosa centifolia) morocco FL/FR honey phenethyl acetate FL/FR phenethyl isobutyrate FL/FR phenethyl phenyl acetate FL/FR phenyl acetaldehyde FL/FR medicinal, phenethyl salicylate FL/FR minty cherry menthol flavor FL naphthyl 2,4- dimethyl benzaldehyde FL/FR 2'- hydroxyacetophenone FL/FR nutty prunus amygdalus amara seed extract FL/FR phenolic methyl benzoate FL/FR powdery acetophenone FL/FR tropical acerola flavor FL waxy ethyl nonanoate FL/FR geranyl propionate FL/FR methyl 10-undecenoate FL/FR nonanol FL/FR rhodinyl phenyl acetate FL/FR woody beta- damascenone FL/FR delta- damascone FL/FR methyl ionyl acetate FL/FR   Potential Uses: FR almond FR apricot FR cherry FR peach FR plum   Occurrence (nature, food, other):note   not found in nature   Synonyms: (S)-3,7- dimethyl oct-7-enyl 3-methyl butanoate (S)-3,7- dimethyl oct-7-enyl isovalerate 3,7- dimethyl-6 or 7-octen-1-yl 3-methyl butanoate 3,7- dimethyl-6 or 7-octen-1-yl isopentanoate 3,7- dimethyl-6 or 7-octen-1-yl isovalerate 3,7- dimethyloct-7-enyl 3-methylbutanoate   rhodinyl 3-methyl butanoate   rhodinyl isopentanoate   rhodinyl isovalerianate   Articles:   None found yet. 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Notes: Flavouring ingredient